TJL0122
 OpenBabel09292510182D

 92  4  0  0  0  0  0  0  0  0999 V2000
  309.3700  187.3500    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  295.1500  187.6900    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  586.2400  194.4100    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  665.6400  194.0600    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  717.2900  194.0600    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  513.9000  194.4100    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  537.9000  194.7500    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  610.2400  194.7500    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  705.3400  200.4300    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  289.9200  201.5700    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  337.1200  201.5700    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  385.4700  201.5700    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  409.8100  201.5700    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  458.5000  201.5700    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  501.9500  201.5700    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  549.8400  201.9100    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  574.6400  201.9100    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  622.9800  201.9100    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  652.1100  201.9100    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  960.0400  204.8700    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  984.3800  205.3300    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
 1073.9000  204.8700    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
 1033.0600  205.3300    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  325.5200  208.6200    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  349.5200  208.6200    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  374.2100  208.2800    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  422.5500  208.2800    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  446.4400  208.2800    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  301.1800  209.0800    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  472.3800  209.7600    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  972.4300  212.3800    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  996.7800  212.0400    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
 1020.3200  212.0400    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
 1045.1200  212.3800    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  652.1100  216.1300    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
 1079.9300  218.7500    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
 1093.8100  222.1600    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  936.8300  224.4400    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
 1021.1200  226.6000    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
 1045.1200  227.0500    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
 1033.8600  234.1000    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  945.4800  236.3800    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
 1056.3800  236.0400    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
 1094.6100  236.0400    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  664.5000  238.2000    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
 1081.8700  241.6100    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  924.0900  243.0900    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
 1107.2300  243.0900    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  874.6100  246.1600    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  912.1500  251.7400    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  863.4600  252.8700    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  887.3500  253.2200    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  652.5600  258.9000    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  941.3800  261.0600    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  639.8200  266.3000    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  863.4600  267.0900    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  887.3500  267.4300    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  839.1200  268.2300    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  851.0600  274.2600    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  875.7400  274.6000    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  815.1100  277.2200    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  783.6000  278.3500    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  829.6700  278.7000    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  640.1600  280.1700    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  770.1800  280.9700    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  850.2600  288.4800    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  793.0500  289.1600    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  692.6000  292.2300    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  716.9500  292.2300    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  764.9500  295.1900    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  680.6600  299.2900    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  730.0300  300.0800    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  811.7000  303.0400    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  788.8400  303.0400    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  830.4700  304.9700    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  774.6200  306.1100    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  800.1000  311.3400    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  315.4000  174.6100    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  513.3300  179.9600    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  585.6700  179.8400    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  663.7100  179.6200    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  693.5100  188.3800    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  489.4400  189.5100    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  561.6700  189.9700    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  639.5900  190.5400    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  959.1300  190.5400    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  361.2400  197.0200    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
 1082.7800  193.1500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
 1071.3400  184.4900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 1094.2100  201.8200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 1091.4400  181.7100    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
 1074.1100  204.5900    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
 88 89  2  0  0  0  0
 88 90  2  0  0  0  0
 88 91  1  0  0  0  0
 92 88  1  0  0  0  0
M  CHG  1  91  -1
M  END
>  <Formula>
C78N5O8S-

$$$$
TJL0122
 OpenBabel09292510183D

 40  3  0  0  0  0  0  0  0  0999 V2000
 1074.1100  204.5900    0.0000 *   0  0  0  0  0  0  0  0  0  0  0  0
 1055.5900  198.3900    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  311.9800  202.1400    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  433.3600  200.7800    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  525.7300  205.4400    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  598.0700  205.6700    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  728.8900  200.4300    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
 1008.0400  204.8700    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  397.4100  207.9400    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  936.8300  210.3300    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  549.5000  215.4500    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  621.6200  215.4500    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  663.7100  222.8400    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  300.6100  223.0700    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  348.7300  222.7300    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  472.1500  223.6400    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  922.9500  228.1900    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
 1071.8500  229.7800    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
 1001.4400  233.9900    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  899.5200  240.9300    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  647.4400  244.2300    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  676.3400  244.8000    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  936.6000  246.7300    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  808.7400  263.5700    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  913.0600  265.2700    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  691.8100  277.5600    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  627.4200  286.7700    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  806.7000  288.8200    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  835.1300  290.8700    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  671.2200  291.7800    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  751.1800  301.5600    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  704.5500  301.5600    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  728.7800  313.5000    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  992.5700  226.8200    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  284.9700  177.5100    0.0000 S   0  0  0  0  0  1  0  0  0  0  0  0
  253.5700  177.0100    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  741.3600  193.2300    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  680.6600  313.6900    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  716.9500  277.8300    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
 1052.6600  249.9500    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  7 37  1  0  0  0  0
 19 34  1  0  0  0  0
 35 36  1  0  0  0  0
M  END
>  <Formula>
C5N15O18S

$$$$
